1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione

C14H23N3O2 — CID 104747580

IUPAC1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCCNC(Cn1ccn(C)c(=O)c1=O)C1CCCC1
InChIInChI=1S/C14H23N3O2/c1-3-15-12(11-6-4-5-7-11)10-17-9-8-16(2)13(18)14(17)19/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyFIWUMDVQQDMVKU-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.72
Rot. Bonds5

About 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione

1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione (PubChem CID 104747580) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione
PubChem CID104747580
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCCNC(Cn1ccn(C)c(=O)c1=O)C1CCCC1
InChIInChI=1S/C14H23N3O2/c1-3-15-12(11-6-4-5-7-11)10-17-9-8-16(2)13(18)14(17)19/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyFIWUMDVQQDMVKU-UHFFFAOYSA-N
XLogP0.72
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[2-cyclopentyl-2-(ethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104748238
1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione
CID 104747581
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
3-[2-cyclopentyl-2-(ethylamino)ethyl]quinazolin-4-one
CID 104747287
1-[2-cyclopropyl-2-(ethylamino)ethyl]pyrimidin-2-one
CID 63915013
1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione
CID 62929078
3-[2-cyclohexyl-2-(ethylamino)ethyl]-1,3-oxazolidin-2-one
CID 104747277
1-(2-aminopropyl)-4-methylpyrazine-2,3-dione
CID 62928561
1-[2-cyclohexyl-2-(ethylamino)ethyl]-4,4-dimethylpiperidine-2,6-dione
CID 104747634
N-[1-cyclopentyl-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747735
1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)-N-ethylethanamine
CID 63913754
1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione
CID 103935365

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione (CID 104747580) is 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione is CCNC(Cn1ccn(C)c(=O)c1=O)C1CCCC1.
What is the InChIKey of 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is FIWUMDVQQDMVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-15-12(11-6-4-5-7-11)10-17-9-8-16(2)13(18)14(17)19/h8-9,11-12,15H,3-7,10H2,1-2H3.
What are the key properties of 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione?
1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 265.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 104747580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).